2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-7-methylimidazo[1,2-a]pyridine

C29H34N4O2 — CID 23625543

IUPAC2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-7-methylimidazo[1,2-a]pyridine
SMILESCOc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4ccc(C)cc4n3)cc2)CC1
InChIInChI=1S/C29H34N4O2/c1-23-13-15-33-22-26(30-29(33)21-23)24-9-11-25(12-10-24)35-20-6-5-14-31-16-18-32(19-17-31)27-7-3-4-8-28(27)34-2/h3-4,7-13,15,21-22H,5-6,14,16-20H2,1-2H3
InChIKeyPPTCFBYLQJKXAO-UHFFFAOYSA-N
MW470.62 g/mol
LogP5.30
Rot. Bonds9

About 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-7-methylimidazo[1,2-a]pyridine

2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-7-methylimidazo[1,2-a]pyridine (PubChem CID 23625543) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-7-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-7-methylimidazo[1,2-a]pyridine
PubChem CID23625543
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Name2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-7-methylimidazo[1,2-a]pyridine
SMILESCOc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4ccc(C)cc4n3)cc2)CC1
InChIInChI=1S/C29H34N4O2/c1-23-13-15-33-22-26(30-29(33)21-23)24-9-11-25(12-10-24)35-20-6-5-14-31-16-18-32(19-17-31)27-7-3-4-8-28(27)34-2/h3-4,7-13,15,21-22H,5-6,14,16-20H2,1-2H3
InChIKeyPPTCFBYLQJKXAO-UHFFFAOYSA-N
XLogP5.30
TPSA42.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-7-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-7-methylimidazo[1,2-a]pyridine (CID 23625543) is 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-7-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-7-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-7-methylimidazo[1,2-a]pyridine is COc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4ccc(C)cc4n3)cc2)CC1.
What is the InChIKey of 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-7-methylimidazo[1,2-a]pyridine?
The InChIKey is PPTCFBYLQJKXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-23-13-15-33-22-26(30-29(33)21-23)24-9-11-25(12-10-24)35-20-6-5-14-31-16-18-32(19-17-31)27-7-3-4-8-28(27)34-2/h3-4,7-13,15,21-22H,5-6,14,16-20H2,1-2H3.
What are the key properties of 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-7-methylimidazo[1,2-a]pyridine?
2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-7-methylimidazo[1,2-a]pyridine has a molecular weight of 470.62 g/mol, XLogP of 5.30, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-7-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 23625543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).